octyl (2S)-2-bromanyl-2-(2-methylphenyl)ethanoate

Systemtic Name: octyl (2S)-2-bromanyl-2-(2-methylphenyl)ethanoate Openeye Name: octyl (2S)-2-bromo-2-(o-tolyl)acetate CAS Name: (2S)-2-bromo-2-(2-methylphenyl)acetic acid octyl ester IUPAC Name: octyl (2S)-2-bromo-2-(2-methylphenyl)acetate Traditional Name: (2S)-2-bromo-2-(o-tolyl)acetic acid octyl ester Formula: C17H25BrO2 MolecularWeight: 341.2832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C1=CC=CC=C1C)Br

Isomeric SMILES

CCCCCCCCOC(=O)[C@H](C1=CC=CC=C1C)Br

InChI

InChI=1S/C17H25BrO2/c1-3-4-5-6-7-10-13-20-17(19)16(18)15-12-9-8-11-14(15)2/h8-9,11-12,16H,3-7,10,13H2,1-2H3/t16-/m0/s1